8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C17H17FN2O — CID 10214790

IUPAC8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCCc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O/c18-14-10-9-13-6-4-5-11-20(16(13)12-14)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21)
InChIKeyYRIVCYUYRQRQKZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.20
Rot. Bonds1

About 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 10214790) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID10214790
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCCc2ccc(F)cc21
InChIInChI=1S/C17H17FN2O/c18-14-10-9-13-6-4-5-11-20(16(13)12-14)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21)
InChIKeyYRIVCYUYRQRQKZ-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 10214790) is 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(Nc1ccccc1)N1CCCCc2ccc(F)cc21.
What is the InChIKey of 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is YRIVCYUYRQRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-10-9-13-6-4-5-11-20(16(13)12-14)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21).
What are the key properties of 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 10214790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).